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. Author manuscript; available in PMC: 2015 Aug 27.
Published in final edited form as: J Chem Inf Model. 2015 Jul 9;55(7):1316–1322. doi: 10.1021/acs.jcim.5b00206

Figure 3.

Figure 3

The test set predictions (154 compounds in test set) from a model predicting the melting point of 771 ionic liquids (ionic liquid data from Varnek et al.19) A regression line has been drawn through the data (solid line). The dotted line is for x=y and the regression values relate to fitting points to each line. The two graphs represent the plotting of the same test set data but with reversal of the assignment of the observed melting points to the axes. Note that the x=y regression gives markedly different results depending on which data are assigned to the y-axis.